LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Spongipregnoloside C

Systematic Name

3-O-(Rhaa1-4(Rhaa1-2)Glcb)-3β-hydroxy-pregna-5,16-dien-20-one

Synonyms

3beta-(alpha-L-rhamnopyranosyl-(1-4)[alpha-L-rhamnopyranosyl-(1-2)]-beta-D-glucopyranosyloxy)-pregna-5,16-dien-20-one
3-O-alpha-L-rhamnopyranosyl-(1-4)[alpha-L-rhamnopyranosyl-(1-2)]-beta-D-glucopyranosyl)-3beta-hydroxy-pregna-5,16-dien-20-one

LM ID

LMST02030219

Formula

C₃₉H₆₂O₁₅

Exact Mass

Calculate m/z

770.408875

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Dioscorea spongiosa (#394307)

Magnoliopsida (#3398)

The Dioscorea genus: a review of bioactive steroid saponins,
J Nat Med, 2007

DOI: 10.1007/s11418-006-0126-3

String Representations

InChiKey (Click to copy)

NDEUIBHHZWDISF-REJRBWNSSA-N

InChi (Click to copy)

InChI=1S/C39H62O15/c1-16(41)22-8-9-23-21-7-6-19-14-20(10-12-38(19,4)24(21)11-13-39(22,23)5)51-37-34(54-36-31(47)29(45)27(43)18(3)50-36)32(48)33(25(15-40)52-37)53-35-30(46)28(44)26(42)17(2)49-35/h6,17-18,20-37,40,42-48H,7-15H2,1-5H3/t17-,18-,20-,21-,22+,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38-,39+/m0/s1

SMILES (Click to copy)

[C@]12(CC=C3C[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](CO)O4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(=O)C)CC[C@@]21[H])[H]